REMARK  Name = BDB034892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.132  -0.613   0.817  0.00  0.00    +0.117 A 
ATOM      2  N   LIG    1       -1.133   0.348   0.654  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1        0.157  -0.118   0.927  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1        1.270   0.523   0.764  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1        0.018  -1.841   1.448  0.00  0.00    -0.059 S 
ATOM      6  C   LIG    1       -1.715  -1.808   1.262  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.371   1.669   0.190  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -1.098   2.806   0.976  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -0.547   2.677   2.611  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -1.322   4.092   0.472  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.825   4.264  -0.817  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.112   3.152  -1.604  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.888   1.867  -1.105  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   1  16
ATOM     14  C   LIG    1       -3.643  -1.869  -1.361  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -4.260  -1.029  -0.342  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1       -3.582  -0.332   0.651  0.00  0.00    +0.264 C 
ATOM     17  O   LIG    1       -4.121   0.487   1.392  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1       -5.703  -0.877  -0.434  0.00  0.00    +0.132 C 
ENDBRANCH   1  16
BRANCH   4  19
ATOM     19  C   LIG    1        2.445  -0.094   1.106  0.00  0.00    +0.270 C 
ATOM     20  O   LIG    1        2.735  -0.421   2.249  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.403  -0.307  -0.012  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        4.518  -1.157   0.137  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        5.347  -1.298  -0.971  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1        6.362  -2.154  -0.641  0.00  0.00    -0.346 N 
ATOM     25  H   LIG    1        7.101  -2.416  -1.277  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        6.211  -2.578   0.652  0.00  0.00    +0.085 A 
ATOM     27  N   LIG    1        5.216  -0.717  -2.177  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        4.139   0.093  -2.263  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        5.077  -1.978   1.160  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1        3.224   0.328  -1.249  0.00  0.00    +0.033 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 4